==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CELL ADHESION 30-MAY-13 4BQ7 . COMPND 2 MOLECULE: NEOGENIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR C.H.BELL,E.HEALEY,S.VAN ERP,B.BISHOP,C.TANG,R.J.C.GILBERT, . 730 10 6 0 6 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34003.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 435 59.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 278 38.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 52 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 2 6 10 6 10 6 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 5 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 884 A P 0 0 167 0, 0.0 2,-0.3 0, 0.0 86,-0.1 0.000 360.0 360.0 360.0-137.5 -14.1 12.4 -3.0 2 885 A M B -a 87 0A 26 84,-0.6 86,-0.5 78,-0.1 78,-0.1 -0.658 360.0-112.2 -86.6 138.7 -17.8 13.1 -3.6 3 886 A M - 0 0 118 -2,-0.3 23,-0.2 84,-0.1 84,-0.1 -0.560 34.3-121.9 -72.4 123.5 -20.2 13.9 -0.6 4 887 A P - 0 0 42 0, 0.0 21,-0.3 0, 0.0 75,-0.1 -0.294 35.6 -91.6 -64.1 153.3 -22.8 11.1 -0.1 5 888 A P - 0 0 3 0, 0.0 86,-0.4 0, 0.0 19,-0.2 -0.174 45.1-154.1 -62.0 156.6 -26.5 12.0 -0.2 6 889 A V E +B 23 0B 57 17,-3.8 17,-3.7 1,-0.2 84,-0.1 -0.749 59.5 39.6-125.7 175.1 -28.3 12.9 3.1 7 890 A G E - 0 0 47 15,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.861 65.5-173.4 49.5 48.6 -31.8 12.9 4.7 8 891 A V E - 0 0 19 83,-0.2 2,-0.4 14,-0.2 14,-0.2 -0.596 7.1-175.1 -71.4 124.3 -32.9 9.5 3.2 9 892 A Q E -B 21 0B 112 12,-2.7 12,-1.9 -2,-0.3 2,-0.6 -0.999 20.3-147.5-132.8 133.8 -36.6 9.0 4.0 10 893 A A E -B 20 0B 28 84,-0.4 2,-0.6 -2,-0.4 10,-0.2 -0.898 10.3-166.0-103.8 112.7 -38.9 6.1 3.4 11 894 A S E -B 19 0B 46 8,-3.1 8,-2.8 -2,-0.6 2,-0.4 -0.890 17.0-139.8-100.8 112.6 -42.6 7.0 2.8 12 895 A I E +B 18 0B 42 -2,-0.6 6,-0.2 6,-0.2 3,-0.1 -0.629 30.7 164.8 -76.1 123.0 -44.9 3.8 3.1 13 896 A L - 0 0 49 4,-2.2 2,-0.2 -2,-0.4 5,-0.2 0.739 60.2 -28.4-108.9 -33.0 -47.6 3.8 0.4 14 897 A S S S- 0 0 30 3,-1.7 84,-1.6 84,-0.1 -1,-0.3 -0.850 80.1 -65.5-160.5-165.9 -48.9 0.1 0.5 15 898 A H S S+ 0 0 56 82,-0.3 57,-0.2 -2,-0.2 82,-0.1 0.556 133.4 22.3 -71.6 -15.5 -48.0 -3.5 1.3 16 899 A D S S+ 0 0 49 1,-0.1 52,-2.3 54,-0.1 2,-0.4 0.312 111.8 77.0-134.1 2.7 -45.5 -3.5 -1.7 17 900 A T + 0 0 19 49,-0.2 -4,-2.2 50,-0.2 -3,-1.7 -0.985 40.6 168.9-131.2 134.8 -44.5 0.1 -2.3 18 901 A I E -BC 12 65B 0 47,-2.2 47,-3.0 -2,-0.4 2,-0.5 -0.994 24.3-141.9-139.6 128.5 -42.3 2.6 -0.6 19 902 A R E -BC 11 64B 70 -8,-2.8 -8,-3.1 -2,-0.3 2,-0.4 -0.841 17.4-154.7 -93.5 125.4 -41.2 6.1 -1.9 20 903 A I E +BC 10 63B 0 43,-3.6 43,-2.6 -2,-0.5 2,-0.3 -0.851 14.6 178.8-100.4 134.2 -37.6 7.0 -1.1 21 904 A T E +BC 9 62B 48 -12,-1.9 -12,-2.7 -2,-0.4 2,-0.3 -0.966 2.8 170.9-133.9 148.5 -36.4 10.7 -1.0 22 905 A W E - 0 0 12 39,-1.6 2,-0.3 -2,-0.3 -15,-0.2 -0.980 24.6-126.4-152.7 161.4 -33.0 12.3 -0.2 23 906 A A E -B 6 0B 31 -17,-3.7 -17,-3.8 -2,-0.3 2,-0.5 -0.845 10.8-148.2-112.7 148.8 -31.1 15.5 -0.1 24 907 A D > - 0 0 3 -2,-0.3 3,-0.7 -19,-0.2 7,-0.1 -0.985 2.3-164.4-116.2 115.6 -27.7 16.3 -1.8 25 908 A N T 3 S+ 0 0 114 -2,-0.5 -1,-0.1 -21,-0.3 4,-0.0 0.779 91.1 62.9 -68.8 -29.5 -25.7 19.0 0.2 26 909 A S T 3 S+ 0 0 61 -23,-0.2 -1,-0.2 -22,-0.1 -2,-0.0 0.672 94.5 84.0 -65.6 -21.6 -23.4 19.5 -2.9 27 910 A L S < S- 0 0 14 -3,-0.7 3,-0.2 1,-0.1 6,-0.1 -0.560 89.5 -99.1 -86.9 148.0 -26.6 20.7 -4.7 28 911 A P - 0 0 63 0, 0.0 3,-0.5 0, 0.0 4,-0.2 -0.175 63.0 -53.7 -67.1 163.5 -28.0 24.3 -4.4 29 912 A K S S- 0 0 179 1,-0.2 3,-0.1 2,-0.1 -4,-0.0 -0.163 119.9 -2.5 -46.1 92.0 -30.8 25.6 -2.1 30 913 A H S S- 0 0 164 -2,-0.2 -1,-0.2 -3,-0.2 -7,-0.0 0.855 118.6 -57.2 42.3 98.0 -33.7 23.3 -2.9 31 914 A Q + 0 0 64 -3,-0.5 2,-0.5 -7,-0.1 30,-0.2 -0.295 62.3 152.9-156.3 66.4 -33.0 21.2 -5.1 32 915 A K - 0 0 103 -4,-0.2 2,-0.6 -3,-0.1 28,-0.0 -0.672 26.0-152.3 -84.8 119.4 -31.8 21.8 -8.8 33 916 A I + 0 0 54 -2,-0.5 -6,-0.0 1,-0.1 -1,-0.0 -0.775 24.5 163.3 -87.7 117.7 -29.7 19.3 -10.8 34 917 A T + 0 0 124 -2,-0.6 2,-0.2 0, 0.0 -1,-0.1 0.168 56.9 54.2-121.7 13.9 -27.7 21.3 -13.4 35 918 A D S S- 0 0 48 2,-0.1 -2,-0.0 0, 0.0 47,-0.0 -0.768 98.0 -85.5-139.1 178.0 -25.0 18.7 -14.3 36 919 A S S S+ 0 0 95 -2,-0.2 47,-0.4 2,-0.0 2,-0.1 0.139 74.8 137.2 -78.9 20.2 -24.8 15.0 -15.6 37 920 A R - 0 0 25 45,-0.2 2,-0.3 43,-0.0 45,-0.2 -0.351 30.5-172.8 -71.3 147.5 -25.1 13.4 -12.0 38 921 A Y E -D 81 0C 92 43,-2.5 43,-2.4 -2,-0.1 2,-0.3 -0.964 14.0-133.7-137.7 152.1 -27.2 10.4 -11.3 39 922 A Y E -DE 80 58C 0 19,-2.7 19,-2.5 -2,-0.3 2,-0.4 -0.732 5.9-149.6-106.0 153.7 -28.2 8.6 -8.1 40 923 A T E -DE 79 57C 16 39,-2.6 39,-1.6 -2,-0.3 2,-0.4 -0.995 9.6-161.6-123.7 122.5 -28.2 4.9 -7.2 41 924 A V E -DE 78 56C 0 15,-3.3 15,-1.6 -2,-0.4 2,-0.3 -0.893 8.1-168.6-102.3 133.3 -30.7 3.6 -4.6 42 925 A R E +DE 77 55C 47 35,-2.3 35,-1.7 -2,-0.4 2,-0.3 -0.954 9.3 171.1-122.7 143.8 -30.1 0.2 -3.0 43 926 A W E +DE 76 54C 16 11,-2.1 11,-3.2 -2,-0.3 2,-0.3 -0.992 7.5 149.8-151.9 151.5 -32.5 -1.9 -0.9 44 927 A K E -D 75 0C 39 31,-1.0 31,-2.7 -2,-0.3 2,-0.2 -0.937 24.0-144.0-166.2 168.3 -32.9 -5.3 0.8 45 928 A T - 0 0 7 -2,-0.3 6,-0.2 29,-0.2 29,-0.1 -0.658 32.6-109.5-126.6-177.3 -34.6 -7.1 3.8 46 929 A N S S+ 0 0 55 27,-0.4 450,-0.4 -2,-0.2 4,-0.1 0.306 75.7 119.2-103.2 7.3 -33.3 -10.0 5.9 47 930 A I + 0 0 24 448,-0.1 2,-0.2 2,-0.1 -2,-0.1 -0.992 67.8 22.2-126.2 125.9 -35.8 -12.6 4.6 48 931 A P S > S- 0 0 63 0, 0.0 3,-0.7 0, 0.0 -3,-0.1 0.603 107.9 -90.4 -75.4-174.5 -34.9 -15.1 3.2 49 932 A A T 3 S+ 0 0 28 1,-0.2 -2,-0.1 -2,-0.2 -3,-0.0 -0.242 101.4 11.7 -59.8 150.6 -31.3 -15.8 4.2 50 933 A N T 3 S+ 0 0 143 1,-0.2 -1,-0.2 -4,-0.1 -4,-0.1 0.733 78.6 169.3 55.9 36.6 -28.4 -14.3 2.2 51 934 A T < - 0 0 45 -3,-0.7 2,-0.3 -6,-0.2 -1,-0.2 -0.354 26.2-133.9 -72.7 158.7 -30.3 -11.9 -0.1 52 935 A K - 0 0 165 1,-0.1 -7,-0.2 -2,-0.0 2,-0.1 -0.729 29.6 -90.3-106.5 159.4 -28.4 -9.4 -2.1 53 936 A Y - 0 0 79 -2,-0.3 2,-0.3 -9,-0.1 -9,-0.2 -0.447 32.7-137.7 -66.4 142.8 -29.1 -5.7 -2.5 54 937 A K E -E 43 0C 140 -11,-3.2 -11,-2.1 -2,-0.1 2,-0.3 -0.756 25.2-158.0 -97.5 146.4 -31.5 -4.6 -5.3 55 938 A N E +E 42 0C 95 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.910 16.4 178.2-128.0 157.9 -30.3 -1.4 -7.1 56 939 A A E -E 41 0C 15 -15,-1.6 -15,-3.3 -2,-0.3 2,-0.3 -0.937 23.4-131.7-160.0 135.0 -31.9 1.4 -9.2 57 940 A N E -E 40 0C 102 -2,-0.3 2,-0.4 -17,-0.2 -17,-0.2 -0.662 21.8-161.9 -87.9 144.4 -30.6 4.5 -10.9 58 941 A A E -E 39 0C 8 -19,-2.5 -19,-2.7 -2,-0.3 5,-0.1 -0.999 18.8-157.2-130.9 131.7 -32.5 7.8 -10.4 59 942 A T S S+ 0 0 120 -2,-0.4 2,-0.2 -21,-0.2 -1,-0.1 0.740 83.3 26.3 -75.4 -27.1 -32.3 10.9 -12.5 60 943 A T S S- 0 0 77 2,-0.4 -21,-0.2 -21,-0.1 -28,-0.1 -0.469 103.3 -76.6-122.9-168.3 -33.6 13.1 -9.6 61 944 A L S S+ 0 0 23 -30,-0.2 -39,-1.6 -2,-0.2 2,-0.3 -0.040 102.7 60.5 -92.0 33.4 -33.8 13.1 -5.8 62 945 A S E -C 21 0B 36 -41,-0.2 -2,-0.4 2,-0.0 2,-0.3 -0.988 53.5-173.2-154.1 152.9 -36.6 10.5 -5.4 63 946 A Y E -C 20 0B 72 -43,-2.6 -43,-3.6 -2,-0.3 2,-0.7 -0.960 18.4-141.3-152.4 130.1 -37.3 6.9 -6.2 64 947 A L E -C 19 0B 80 -2,-0.3 2,-0.5 -45,-0.2 -45,-0.2 -0.849 18.2-155.3 -94.3 115.2 -40.5 4.7 -6.0 65 948 A V E +C 18 0B 0 -47,-3.0 -47,-2.2 -2,-0.7 2,-0.2 -0.816 20.1 177.8 -93.1 120.5 -39.6 1.2 -4.8 66 949 A T + 0 0 85 -2,-0.5 -49,-0.2 -49,-0.2 0, 0.0 -0.605 48.4 47.0-116.3 175.9 -42.2 -1.5 -5.9 67 950 A G S S+ 0 0 68 -2,-0.2 -50,-0.2 1,-0.2 -1,-0.1 0.708 72.9 154.1 62.7 28.5 -42.7 -5.3 -5.7 68 951 A L - 0 0 13 -52,-2.3 -1,-0.2 -3,-0.2 -51,-0.0 -0.383 49.0-101.3 -80.9 160.4 -41.8 -5.5 -2.0 69 952 A K > - 0 0 82 -2,-0.1 3,-0.7 1,-0.1 28,-0.3 -0.605 43.6-103.3 -78.9 146.9 -43.1 -8.2 0.5 70 953 A P T 3 S+ 0 0 17 0, 0.0 29,-0.2 0, 0.0 62,-0.2 -0.311 98.8 9.0 -69.9 152.6 -46.0 -7.2 2.8 71 954 A N T 3 S+ 0 0 37 27,-2.3 2,-0.4 1,-0.2 27,-0.1 0.831 99.0 139.6 47.2 44.0 -45.4 -6.4 6.5 72 955 A T < - 0 0 4 -3,-0.7 25,-2.2 26,-0.2 2,-0.6 -0.950 53.2-130.6-123.1 138.1 -41.5 -6.5 5.9 73 956 A L E - F 0 96C 40 427,-1.2 -27,-0.4 -2,-0.4 2,-0.3 -0.780 30.2-174.4 -89.7 120.1 -38.7 -4.2 7.2 74 957 A Y E - F 0 95C 17 21,-2.5 21,-1.9 -2,-0.6 2,-0.4 -0.795 17.0-139.7-112.7 151.7 -36.4 -3.0 4.4 75 958 A E E -DF 44 94C 35 -31,-2.7 -31,-1.0 -2,-0.3 2,-0.4 -0.883 19.1-167.9-110.9 142.6 -33.2 -0.9 4.5 76 959 A F E +DF 43 93C 0 17,-2.9 17,-2.7 -2,-0.4 2,-0.3 -0.998 11.0 169.3-136.4 135.1 -32.5 1.9 2.0 77 960 A S E -D 42 0C 0 -35,-1.7 -35,-2.3 -2,-0.4 2,-0.3 -0.965 16.2-148.5-142.3 149.7 -29.3 3.9 1.1 78 961 A V E -D 41 0C 0 -2,-0.3 12,-2.6 13,-0.3 2,-0.3 -0.904 10.7-176.9-122.5 149.1 -28.4 6.3 -1.7 79 962 A M E -D 40 0C 25 -39,-1.6 -39,-2.6 -2,-0.3 2,-0.3 -0.948 16.5-137.3-139.3 157.1 -25.1 7.2 -3.6 80 963 A V E -D 39 0C 0 8,-0.3 7,-2.7 -2,-0.3 2,-0.3 -0.881 14.6-170.9-120.3 146.7 -24.3 9.8 -6.3 81 964 A T E -DG 38 86C 13 -43,-2.4 -43,-2.5 -2,-0.3 5,-0.2 -0.967 11.7-177.9-135.7 147.2 -22.2 9.5 -9.5 82 965 A K E > - 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